1,3-dimethyl-7-phenyl-6H-pyrrolo[2,3-d]pyrimidine-2,4,5-trione

C14H13N3O3 — CID 687888

IUPAC1,3-dimethyl-7-phenyl-6H-pyrrolo[2,3-d]pyrimidine-2,4,5-trione
SMILESCn1c2c(c(=O)n(C)c1=O)C(=O)CN2c1ccccc1
InChIInChI=1S/C14H13N3O3/c1-15-12-11(13(19)16(2)14(15)20)10(18)8-17(12)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyKXBZGDUBPLVMKS-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.42
Rot. Bonds1

About 1,3-dimethyl-7-phenyl-6H-pyrrolo[2,3-d]pyrimidine-2,4,5-trione

1,3-dimethyl-7-phenyl-6H-pyrrolo[2,3-d]pyrimidine-2,4,5-trione (PubChem CID 687888) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 1,3-dimethyl-7-phenyl-6H-pyrrolo[2,3-d]pyrimidine-2,4,5-trione.

Molecular Properties

Compound Name1,3-dimethyl-7-phenyl-6H-pyrrolo[2,3-d]pyrimidine-2,4,5-trione
PubChem CID687888
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name1,3-dimethyl-7-phenyl-6H-pyrrolo[2,3-d]pyrimidine-2,4,5-trione
SMILESCn1c2c(c(=O)n(C)c1=O)C(=O)CN2c1ccccc1
InChIInChI=1S/C14H13N3O3/c1-15-12-11(13(19)16(2)14(15)20)10(18)8-17(12)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyKXBZGDUBPLVMKS-UHFFFAOYSA-N
XLogP0.42
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-1,3-dimethyl-5-[2-(N-methylanilino)acetyl]pyrimidine-2,4-dione
CID 2457625
5-acetyl-6-hydroxy-3-methyl-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
CID 666626
6-Amino-1-benzyl-5-[2-(2,3-dihydroindol-1-yl)acetyl]-3-ethylpyrimidine-2,4-dione
CID 2089989
6-Amino-1-benzyl-5-[2-(2,3-dihydroindol-1-yl)acetyl]-3-methylpyrimidine-2,4-dione
CID 2124813
2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 4848846
3-butyl-6-methyl-1-phenylpyrimidine-2,4(1H,3H)-dione
CID 1815371
Uracil, 5-(dimethylamino)-3-ethyl-6-methyl-1-phenyl-
CID 208325
2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 4848842
5-Methyl-1-(2-methylpropyl)-3-phenylpyrimidine-2,4-dione
CID 241560
Uracil, 5-(dimethylamino)-1-ethyl-6-methyl-3-phenyl-
CID 122559
1H-Cyclopentapyrimidine-2,4(3H,5H)-dione, 6,7-dihydro-1-methyl-3-phenyl-
CID 206371
1H-Cyclopentapyrimidine-1-acetic acid, 2,3,4,5,6,7-hexahydro-2,4-dioxo-3-phenyl-
CID 206372

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7-phenyl-6H-pyrrolo[2,3-d]pyrimidine-2,4,5-trione?
The IUPAC name of 1,3-dimethyl-7-phenyl-6H-pyrrolo[2,3-d]pyrimidine-2,4,5-trione (CID 687888) is 1,3-dimethyl-7-phenyl-6H-pyrrolo[2,3-d]pyrimidine-2,4,5-trione.
What is the SMILES notation for 1,3-dimethyl-7-phenyl-6H-pyrrolo[2,3-d]pyrimidine-2,4,5-trione?
The canonical SMILES for 1,3-dimethyl-7-phenyl-6H-pyrrolo[2,3-d]pyrimidine-2,4,5-trione is Cn1c2c(c(=O)n(C)c1=O)C(=O)CN2c1ccccc1.
What is the InChIKey of 1,3-dimethyl-7-phenyl-6H-pyrrolo[2,3-d]pyrimidine-2,4,5-trione?
The InChIKey is KXBZGDUBPLVMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-15-12-11(13(19)16(2)14(15)20)10(18)8-17(12)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3.
What are the key properties of 1,3-dimethyl-7-phenyl-6H-pyrrolo[2,3-d]pyrimidine-2,4,5-trione?
1,3-dimethyl-7-phenyl-6H-pyrrolo[2,3-d]pyrimidine-2,4,5-trione has a molecular weight of 271.28 g/mol, XLogP of 0.42, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7-phenyl-6H-pyrrolo[2,3-d]pyrimidine-2,4,5-trione is sourced from PubChem (CID 687888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).